ergo
atom_box_struct Struct Reference

Public Attributes

box_struct_basic basicBox
 
ergo_real centerOfChargeCoords [3]
 
multipole_struct_large multipole
 
ergo_realmultipole_moment_derivatives
 
ergo_realderivatives_wrt_multipole_moments
 

Member Data Documentation

◆ basicBox

◆ centerOfChargeCoords

ergo_real atom_box_struct::centerOfChargeCoords[3]

Referenced by create_nuclei_mm_tree().

◆ derivatives_wrt_multipole_moments

ergo_real* atom_box_struct::derivatives_wrt_multipole_moments

◆ multipole

◆ multipole_moment_derivatives

ergo_real* atom_box_struct::multipole_moment_derivatives

The documentation for this struct was generated from the following file: